⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1997814 | 0.88 | TSHR (0.30) | — | |
| SCHEMBL30377727 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL2000228 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL28504665 | 0.85 | TSHR (0.31) | — | |
| SCHEMBL30377798 | 0.85 | TSHR (0.31) | — | |
| SCHEMBL1995717 | 0.85 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL5373278 | 0.82 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL30378537 | 0.82 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL30378393 | 0.80 | — | — | |
| SCHEMBL11712015 | 0.79 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116003310-A | Organic compound and organic electroluminescent device using the same | 清华大学 | 2023-04-25 | — | — | CN | disclosed |